(2-methyl-5-nitro-pyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-nitro-pyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-methyl-5-nitro-3-pyridyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (2-methyl-5-nitro-3-pyridinyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-nitropyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (2-methyl-5-nitro-3-pyridyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C18H16F3N5O5 MolecularWeight: 439.34535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N5O5/c1-11-14(9-13(10-22-11)25(28)29)17(27)24-6-4-23(5-7-24)15-3-2-12(18(19,20)21)8-16(15)26(30)31/h2-3,8-10H,4-7H2,1H3